SCHEMBL8280284

SCHEMBL8280284

CCc1c(C)nn(-c2ccccc2)c1Cl

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMO Q99835 1/20 0.54
LMNA P02545 4/20 0.54
MAPT P10636 2/20 0.54
CRHBP P24387 1/20 0.54
CRHR2 Q13324 1/20 0.54
NPSR1 Q6W5P4 4/20 0.53
KDM4E B2RXH2 2/20 0.52
HSD17B10 Q99714 1/20 0.52
MEN1 O00255 1/20 0.51
KMT2A Q03164 1/20 0.51
SMN1; SMN2 Q16637 4/20 0.51
ALDH1A1 P00352 5/20 0.51
RAB9A P51151 4/20 0.51
NPC1 O15118 3/20 0.51
HTT P42858 2/20 0.51
PAX8 Q06710 2/20 0.51
XBP1 P17861 1/20 0.51
HPGD P15428 3/20 0.48
BRAF P15056 1/20 0.47
MPO P05164 1/20 0.46

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL9363470 0.86 SMO (0.54) SMOLMNAMAPTCRHBPCRHR2
SCHEMBL169569 0.85 SMO (0.53) SMOLMNAMAPTCRHBPCRHR2
SCHEMBL11381573 0.85 NPSR1 (0.55) SMOLMNAMAPTCRHBPCRHR2
SCHEMBL12770960 0.82 MEN1 (0.68) SMOLMNAMAPTNPSR1KDM4E
SCHEMBL13719047 0.82 HPGD (0.53) SMOLMNAMAPTCRHBPCRHR2
SCHEMBL23402488 0.79 NPC1 (0.54) LMNAMAPTKDM4EHSD17B10MEN1
SCHEMBL11576596 0.79 SMN1; SMN2 (0.58) LMNAMAPTNPSR1KDM4EHSD17B10
SCHEMBL13602488 0.78 SMN1; SMN2 (0.57) SMOLMNAMAPTNPSR1KDM4E
SCHEMBL14079404 0.78 MPO (0.53) SMOLMNAMAPTKDM4EHSD17B10
SCHEMBL12871680 0.78 PTGS1 (0.46) SMOLMNAMAPTCRHBPCRHR2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7595399-B2 Tyrosine derivatives GENENTECH, INC. (US) 2009-09-29 US disclosed
US-7595399-B2 Tyrosine derivatives GENENTECH, INC. (US) 2009-09-29 US disclosed
US-7579479-B2 Substituted acid derivatives useful as antidiabetic and antiobesity agents and method BRISTOL-MYERS SQUIBB COMPANY (US) 2009-08-25 US disclosed
US-7576117-B1 Cyclic amine CCR3 antagonist TEIJIN LIMITED (JP) 2009-08-18 US disclosed
US-7576117-B1 Cyclic amine CCR3 antagonist TEIJIN LIMITED (JP) 2009-08-18 US disclosed
US-20080075719-A1 Method for Augmenting B Cell Depletion GENENTECH, INC. (US) 2008-03-27 US disclosed
US-20080075719-A1 Method for Augmenting B Cell Depletion GENENTECH, INC. (US) 2008-03-27 US disclosed
US-7241780-B2 Substituted acid derivatives useful as antidiabetic and antiobesity agents and method BRISTOLS-MYERS SQUIBB COMPANY (US) 2007-07-10 US disclosed
EP-1214292-B1 TYROSINE DERIVATIVES GENENTECH INC (US) 2007-06-13 EP disclosed
US-20070015797-A1 Substituted acid derivatives useful as antidiabetic and antiobesity agents and method CHENG PETER T 2007-01-18 US disclosed
WO-2005113003-A2 METHOD FOR AUGMENTING B CELL DEPLETION GENENTECH, INC. (US) 2005-12-01 WO disclosed
WO-2003007959-A1 QUINOXALINE DERIVATIVES WHICH HAVE PARP INHIBITORY ACTION FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2003-01-30 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20080075719-A1 Method for Augmenting B Cell Depletion CD22, ITGAM, FCGR3B SMO 3147/4885LMNA 2205/4885MAPT 4875/4885
US-20070015797-A1 Substituted acid derivatives useful as antidiabetic and antiobesity agents and method GPR119, LIPC, ACACA SMO 3350/4885LMNA 320/4885MAPT 4848/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.